6,9-dihydrobenzo[a]phenalen-7-one

C17H12O — CID 123744266

IUPAC6,9-dihydrobenzo[a]phenalen-7-one
SMILESO=C1C2=CCC=CC2=c2cccc3c2=C1CC=C3
InChIInChI=1S/C17H12O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1,3-9H,2,10H2
InChIKeyYKEOVZPAPABYIN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.87
Rot. Bonds

About 6,9-dihydrobenzo[a]phenalen-7-one

6,9-dihydrobenzo[a]phenalen-7-one (PubChem CID 123744266) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 6,9-dihydrobenzo[a]phenalen-7-one.

Molecular Properties

Compound Name6,9-dihydrobenzo[a]phenalen-7-one
PubChem CID123744266
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name6,9-dihydrobenzo[a]phenalen-7-one
SMILESO=C1C2=CCC=CC2=c2cccc3c2=C1CC=C3
InChIInChI=1S/C17H12O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1,3-9H,2,10H2
InChIKeyYKEOVZPAPABYIN-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,9-dihydrobenzo[a]phenalen-7-one?
The IUPAC name of 6,9-dihydrobenzo[a]phenalen-7-one (CID 123744266) is 6,9-dihydrobenzo[a]phenalen-7-one.
What is the SMILES notation for 6,9-dihydrobenzo[a]phenalen-7-one?
The canonical SMILES for 6,9-dihydrobenzo[a]phenalen-7-one is O=C1C2=CCC=CC2=c2cccc3c2=C1CC=C3.
What is the InChIKey of 6,9-dihydrobenzo[a]phenalen-7-one?
The InChIKey is YKEOVZPAPABYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1,3-9H,2,10H2.
What are the key properties of 6,9-dihydrobenzo[a]phenalen-7-one?
6,9-dihydrobenzo[a]phenalen-7-one has a molecular weight of 232.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydrobenzo[a]phenalen-7-one is sourced from PubChem (CID 123744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).